ChemSpider 2D Image | 2-Acetamido-3-{[1-(2-chlorophenyl)-3-oxononyl]sulfanyl}propanoate | C20H27ClNO4S

2-Acetamido-3-{[1-(2-chlorophenyl)-3-oxononyl]sulfanyl}propanoate

  • Molecular FormulaC20H27ClNO4S
  • Average mass412.951 Da
  • Monoisotopic mass412.135468 Da
  • ChemSpider ID20015581

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Acetamido-3-{[1-(2-chlorophenyl)-3-oxononyl]sulfanyl}propanoate [ACD/IUPAC Name]
2-Acétamido-3-{[1-(2-chlorophényl)-3-oxononyl]sulfanyl}propanoate [French] [ACD/IUPAC Name]
2-Acetamido-3-{[1-(2-chlorphenyl)-3-oxononyl]sulfanyl}propanoat [German] [ACD/IUPAC Name]
Cysteine, N-acetyl-S-[1-(2-chlorophenyl)-3-oxononyl]-, ion(1-) [ACD/Index Name]
115887-23-5 [RN]
2-(N-acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 612.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 2.26
ACD/KOC (pH 5.5): 12.05
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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